KEGG   COMPOUND: C04416
Entry
C04416                      Compound                               

Name
5alpha-Ergosta-7,22-diene-3beta,5-diol
Formula
C28H46O2
Exact mass
414.3498
Mol weight
414.6636
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0103 Ergosterols and C24-methyl derivatives
    C04416  5alpha-Ergosta-7,22-diene-3beta,5-diol
  ST03 Secosteroids
   ST0301 Vitamin D2 and derivatives
    C04416  5alpha-Ergosta-7,22-diene-3beta,5-diol
Other DBs
PubChem: 7048
ChEBI: 17938
LIPIDMAPS: LMST01031014
3DMET: B01742
NIKKAJI: J2.750.550C
LinkDB
KCF data

ATOM        30
            1   C2y C    16.6273  -18.6356
            2   C1y C    15.4388  -17.9484
            3   C1y C    17.8218  -17.9360
            4   C2x C    16.6396  -20.0097
            5   C1z C    14.2627  -18.6417
            6   C1x C    15.4964  -16.5743
            7   C1z C    17.8281  -16.5558
            8   C1x C    20.2110  -17.9484
            9   C1x C    15.4512  -20.6844
            10  C1z C    14.2627  -20.0036
            11  C1x C    13.0805  -17.9671
            12  C1a C    14.3142  -17.2986
            13  C1x C    16.6210  -15.8750
            14  C1y C    19.0227  -15.8687
            15  C1a C    17.8218  -15.2063
            16  C1x C    20.2173  -16.5682
            17  C1x C    13.0805  -20.6905
            18  O1a O    14.3142  -21.2766
            19  C1x C    11.9106  -18.6417
            20  C1c C    19.0288  -14.5194
            21  C1y C    11.9106  -20.0036
            22  C2b C    20.1988  -13.8509
            23  C1a C    17.8651  -13.8446
            24  O1a O    10.7469  -20.6720
            25  C2b C    21.3624  -14.5318
            26  C1c C    22.5261  -13.8633
            27  C1c C    24.0921  -15.0021
            28  C1a C    23.6835  -13.1762
            29  C1a C    24.1107  -16.2957
            30  C1a C    25.2619  -14.3399
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   10  18 1 #Down
            18   11  19 1
            19   14  20 1
            20   17  21 1
            21   20  22 1
            22   20  23 1 #Down
            23   21  24 1 #Up
            24   22  25 2
            25   25  26 1
            26   26  27 1
            27   26  28 1 #Down
            28   27  29 1
            29   27  30 1
            30    7  13 1
            31    9  10 1
            32   14  16 1
            33   19  21 1

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